SCHEMBL6034005

SCHEMBL6034005

CN(C)CCNC(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3cccnc3)n2)cc1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 8/20 0.77
CCNE1 P24864 8/20 0.77
CDK2 P24941 8/20 0.77
GSK3B P49841 8/20 0.77
ATR Q13535 12/20 0.63
CYP3A4 P08684 1/20 0.58
PRKDC P78527 1/20 0.58
ATM Q13315 1/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6034567 0.95 GSK3B (0.75) CCNE2CCNE1CDK2GSK3BATR
Hydrochloric Acid SCHEMBL6597556 0.94 GSK3B (0.74) CCNE2CCNE1CDK2GSK3BATR
SCHEMBL6599358 0.87 GSK3B (1.00) CCNE2CCNE1CDK2GSK3BATR
SCHEMBL6035157 0.87 ATR (0.72) CCNE2CCNE1CDK2GSK3BATR
Hydrochloric Acid SCHEMBL6035742 0.86 GSK3B (0.98) CCNE2CCNE1CDK2GSK3BATR
SCHEMBL6597723 0.86 GSK3B (0.67) CCNE2CCNE1CDK2GSK3BATR
SCHEMBL6034146 0.86 GSK3B (0.84) CCNE2CCNE1CDK2GSK3BATR
SCHEMBL6034278 0.86 GSK3B (0.90) CCNE2CCNE1CDK2GSK3BATR
SCHEMBL6035793 0.85 GSK3B (1.00) CCNE2CCNE1CDK2GSK3BATR
SCHEMBL6034197 0.84 GSK3B (0.70) CCNE2CCNE1CDK2GSK3BATR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 US claimed
CN-1551869-A Novel compound 2004-12-01 CN claimed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP claimed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 WO claimed
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 US disclosed
CN-1551869-A Novel compound 2004-12-01 CN disclosed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP disclosed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 GSK3A, GSK3B, PYGL CCNE2 438/4885CCNE1 386/4885CDK2 118/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.